N-(4-butan-2-yl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3,4-bis(chloranyl)benzamide

Systemtic Name: N-(4-butan-2-yl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3,4-bis(chloranyl)benzamide Openeye Name: 3,4-dichloro-N-(3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzamide CAS Name: N-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3,4-dichlorobenzamide IUPAC Name: N-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3,4-dichlorobenzamide Traditional Name: 3,4-dichloro-N-(3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C20H20Cl2N2O3 MolecularWeight: 407.2904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)OCC1=O

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)OCC1=O

InChI

InChI=1S/C20H20Cl2N2O3/c1-3-12(2)24-10-14-8-15(5-7-18(14)27-11-19(24)25)23-20(26)13-4-6-16(21)17(22)9-13/h4-9,12H,3,10-11H2,1-2H3,(H,23,26)